[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl] ester Formula: C18H18Cl2N2O6 MolecularWeight: 429.25132

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)COC(=O)C1=CC=C(O1)[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H18Cl2N2O6/c1-2-3-11(13-5-4-12(19)8-14(13)20)9-21-16(23)10-27-18(24)15-6-7-17(28-15)22(25)26/h4-8,11H,2-3,9-10H2,1H3,(H,21,23)